ChemSpider 2D Image | (2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4-decadienamide | C25H40N4O6

(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4-decadienamide

  • Molecular FormulaC25H40N4O6
  • Average mass492.608 Da
  • Monoisotopic mass492.294800 Da
  • ChemSpider ID58190655
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4-decadienamid [German] [ACD/IUPAC Name]
(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino}-1-oxo-2-butanyl]-2,4-decadienamide [ACD/IUPAC Name]
(2E,4E)-N-[(2S,3R)-3-Hydroxy-1-{[(3E,5S,8S,10S)-10-hydroxy-5-méthyl-2,7-dioxo-1,6-diazacyclododéc-3-én-8-yl]amino}-1-oxo-2-butanyl]-2,4-décadiénamide [French] [ACD/IUPAC Name]
2,4-Decadienamide, N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-, (2E,4E)- [ACD/Index Name]
119259-72-2 [RN]
2,4-Decadienamide,N-[(1S,2R)-2-hydroxy-1-[[[(3E,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]carbonyl]propyl]-,(2E,4E)- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 889.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.9±6.0 kJ/mol
Flash Point: 491.9±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 133.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.20
ACD/LogD (pH 7.4): -0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.20
Polar Surface Area: 157 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 414.7±5.0 cm3

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